Geometry & MOs

Info

ID:	167509
PubChem CID:	74839630
Reduced:	ON3F5H16C18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	333.104418
ΔH_f, kcal/mol:	-232.1
Dipole, Da:	8.28
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chlorophenyl)-5-methylpyrazolidin-4-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC1C(C(NN1)C2=CC(=CC=C2)C(F)(F)F)NC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations